methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate

C21H17FN2O5 — CID 110382411

IUPACmethyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc(F)c3)c2=O)cc1
InChIInChI=1S/C21H17FN2O5/c1-28-21(27)15-7-9-17(10-8-15)23-19(25)18-6-3-11-24(20(18)26)29-13-14-4-2-5-16(22)12-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyJTPFKFHKPLABQF-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.66
Rot. Bonds6

About methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate

methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate (PubChem CID 110382411) has the molecular formula C21H17FN2O5 and a molecular weight of 396.37 g/mol. Its IUPAC name is methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
PubChem CID110382411
Molecular FormulaC21H17FN2O5
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Namemethyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc(F)c3)c2=O)cc1
InChIInChI=1S/C21H17FN2O5/c1-28-21(27)15-7-9-17(10-8-15)23-19(25)18-6-3-11-24(20(18)26)29-13-14-4-2-5-16(22)12-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyJTPFKFHKPLABQF-UHFFFAOYSA-N
XLogP2.66
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382409
methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597576
N-(4-ethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382737
1-[(4-fluorophenyl)methoxy]-N-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 6710602
N-(4-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382871
N-(3-acetylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 40505024
methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7189982
1-[(3-chlorophenyl)methoxy]-N-(3,4-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 40505050
butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597581
methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692912
N-(4-carbamoylphenyl)-1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382843
N-(2-acetylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382398

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate (CID 110382411) is methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc(F)c3)c2=O)cc1.
What is the InChIKey of methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate?
The InChIKey is JTPFKFHKPLABQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O5/c1-28-21(27)15-7-9-17(10-8-15)23-19(25)18-6-3-11-24(20(18)26)29-13-14-4-2-5-16(22)12-14/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate?
methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate has a molecular weight of 396.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 110382411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).